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git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@12699 f3b2605a-c512-4ea7-a41b-209d697bcdaa

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sjplimp
2014-11-17 18:36:20 +00:00
parent 9f94910670
commit 48b2274786
2 changed files with 6 additions and 6 deletions
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6
doc/neb.html
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@ -283,9 +283,9 @@ for the NEB procedure.
<P>The damped dynamics <A HREF = "min_style.html">minimizers</A>, such as <I>quickmin</I> <P>The damped dynamics <A HREF = "min_style.html">minimizers</A>, such as <I>quickmin</I>
and <I>fire</I>), adjust the position and velocity of the atoms via an and <I>fire</I>), adjust the position and velocity of the atoms via an
Euler integration step. Thus you must define an appropriate Euler integration step. Thus you must define an appropriate
<A HREF = "timestep.html">timestep</A> to use with NEB. Using the same timestep <A HREF = "timestep.html">timestep</A> to use with NEB. As mentioned above, NEB
that would be used for a dynamics <A HREF = "run.html">run</A> of your system is will often converge more quickly if you use a timestep about 10x
advised. larger than you would normally use for dynamics simulations.
</P> </P>
<HR> <HR>

6
doc/neb.txt
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@ -273,9 +273,9 @@ for the NEB procedure.
The damped dynamics "minimizers"_min_style.html, such as {quickmin} The damped dynamics "minimizers"_min_style.html, such as {quickmin}
and {fire}), adjust the position and velocity of the atoms via an and {fire}), adjust the position and velocity of the atoms via an
Euler integration step. Thus you must define an appropriate Euler integration step. Thus you must define an appropriate
"timestep"_timestep.html to use with NEB. Using the same timestep "timestep"_timestep.html to use with NEB. As mentioned above, NEB
that would be used for a dynamics "run"_run.html of your system is will often converge more quickly if you use a timestep about 10x
advised. larger than you would normally use for dynamics simulations.
:line :line